SCHEMBL6476799

SCHEMBL6476799

CC1=C2N(C#Cc3ccccc3)C=NN2C(=O)C(Cc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 14/20 0.43
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EP300 Q09472 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6477887 0.93 CES2 (0.42) CES2KDM4ERAB9AL3MBTL1EP300
SCHEMBL6818421 0.91 CES2 (0.36) CES2KDM4ERAB9AL3MBTL1EP300
SCHEMBL6476790 0.71 CES2 (0.45) CES2KDM4ERAB9AL3MBTL1EP300
SCHEMBL13104005 0.61 CES2 (1.00) CES2KDM4ERAB9AL3MBTL1
SCHEMBL4240299 0.59 CES2 (0.76) CES2KDM4ERAB9AL3MBTL1KMT2A
SCHEMBL4059748 0.56 CES2 (0.82) CES2KDM4ERAB9AL3MBTL1
SCHEMBL19499378 0.56 CES2 (0.89) CES2KDM4ERAB9AL3MBTL1MEN1
SCHEMBL4435666 0.56 KMT2A (0.72) CES2KDM4EL3MBTL1EP300MEN1
SCHEMBL17070921 0.55 KDM4E (0.69) CES2KDM4EEP300MEN1KMT2A
SCHEMBL1088583 0.55 EP300 (0.46) CES2EP300MEN1KMT2AKDM4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897223-B2 Pyridine fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 CES2 2239/4885KDM4E 1218/4885RAB9A 2194/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.